(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

C11H9Br2N3O — CID 114669784

IUPAC(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H9Br2N3O/c1-16-10(8(13)5-15-16)11(17)6-2-3-9(14)7(12)4-6/h2-5H,14H2,1H3
InChIKeyXPZGTBPDMYWWLE-UHFFFAOYSA-N
MW359.02 g/mol
LogP2.76
Rot. Bonds2

About (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (PubChem CID 114669784) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
PubChem CID114669784
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC Name(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H9Br2N3O/c1-16-10(8(13)5-15-16)11(17)6-2-3-9(14)7(12)4-6/h2-5H,14H2,1H3
InChIKeyXPZGTBPDMYWWLE-UHFFFAOYSA-N
XLogP2.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-bromophenyl)-(3-methyltriazol-4-yl)methanone
CID 114692107
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114670896
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(4-amino-3-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669776
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496
1-(4-amino-3-bromophenyl)-2-methylprop-2-en-1-one
CID 116582029
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (CID 114669784) is (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is Cn1ncc(Br)c1C(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The InChIKey is XPZGTBPDMYWWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-16-10(8(13)5-15-16)11(17)6-2-3-9(14)7(12)4-6/h2-5H,14H2,1H3.
What are the key properties of (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone has a molecular weight of 359.02 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).